7-(5-azanyl-3-carboxy-2-methyl-imidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-(5-azanyl-3-carboxy-2-methyl-imidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-(5-amino-3-carboxy-2-methyl-imidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(5-amino-3-carboxy-2-methyl-1-imidazo[1,2-a]pyridin-4-iumyl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-(5-amino-3-carboxy-2-methylimidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(5-amino-3-carboxy-2-methyl-imidazo[1,2-a]pyridin-4-ium-1-yl)-8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+]2=C(N1C3(C4N(C3=O)C(=CCS4)C(=O)[O-])C)C=CC=C2N)C(=O)O

Isomeric SMILES

CC1=C([N+]2=C(N1C3(C4N(C3=O)C(=CCS4)C(=O)[O-])C)C=CC=C2N)C(=O)O

InChI

InChI=1S/C17H16N4O5S/c1-8-12(14(24)25)20-10(18)4-3-5-11(20)21(8)17(2)15(26)19-9(13(22)23)6-7-27-16(17)19/h3-6,16,18H,7H2,1-2H3,(H2,22,23,24,25)